BioLiP

PDB

BioLiP

PDB CCD ID:

WDR

Number of entries in BioLiP:

Chemical formula:

C16 H19 N3 O4

InChI:

InChI=1S/C16H19N3O4/c1-9-14(10(2)23-18-9)11-4-5-13-12(8-11)15(22-7-6-20)19(3)16(21)17-13/h4-5,8,15,20H,6-7H2,1-3H3,(H,17,21)/t15-/m0/s1

InChIKey:

PRJSSNHOEZPGMA-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO
OpenEye OEToolkits 1.7.2	Cc1c(c(on1)C)c2ccc3c(c2)C(N(C(=O)N3)C)OCCO
ACDLabs 12.01	O=C3Nc2c(cc(c1c(onc1C)C)cc2)C(OCCO)N3C
CACTVS 3.370	CN1[CH](OCCO)c2cc(ccc2NC1=O)c3c(C)onc3C
CACTVS 3.370	CN1[C@@H](OCCO)c2cc(ccc2NC1=O)c3c(C)onc3C

Name:

(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one

ZINC:

ZINC000098209576

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).